1-methyl-3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]indole-6-sulfonamide

C25H19F6N5O2S2 — CID 71607928

IUPAC1-methyl-3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]indole-6-sulfonamide
SMILESCc1sc(NS(=O)(=O)c2ccc3c(-c4ccc(C(F)(F)F)cc4-c4ccnn4C)cn(C)c3c2)nc1C(F)(F)F
InChIInChI=1S/C25H19F6N5O2S2/c1-13-22(25(29,30)31)33-23(39-13)34-40(37,38)15-5-7-17-19(12-35(2)21(17)11-15)16-6-4-14(24(26,27)28)10-18(16)20-8-9-32-36(20)3/h4-12H,1-3H3,(H,33,34)
InChIKeyRZIJZEQYJDMDRR-UHFFFAOYSA-N
MW599.58 g/mol
LogP6.85
Rot. Bonds5

About 1-methyl-3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]indole-6-sulfonamide

1-methyl-3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]indole-6-sulfonamide (PubChem CID 71607928) has the molecular formula C25H19F6N5O2S2 and a molecular weight of 599.58 g/mol. Its IUPAC name is 1-methyl-3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]indole-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]indole-6-sulfonamide
PubChem CID71607928
Molecular FormulaC25H19F6N5O2S2
Molecular Weight599.58 g/mol
Exact Mass599.09
IUPAC Name1-methyl-3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]indole-6-sulfonamide
SMILESCc1sc(NS(=O)(=O)c2ccc3c(-c4ccc(C(F)(F)F)cc4-c4ccnn4C)cn(C)c3c2)nc1C(F)(F)F
InChIInChI=1S/C25H19F6N5O2S2/c1-13-22(25(29,30)31)33-23(39-13)34-40(37,38)15-5-7-17-19(12-35(2)21(17)11-15)16-6-4-14(24(26,27)28)10-18(16)20-8-9-32-36(20)3/h4-12H,1-3H3,(H,33,34)
InChIKeyRZIJZEQYJDMDRR-UHFFFAOYSA-N
XLogP6.85
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.58
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-1-methylsulfonyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
CID 71259882
4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 71711176
3-[2-[1-(azetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide;hydrochloride
CID 90388148
4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-(5-methyl-2-pyridinyl)-3,4-dihydro-2H-chromene-7-sulfonamide
CID 135184675
[2-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)phenyl]urea
CID 141484570
3-[3-bromo-5-(trifluoromethyl)phenyl]-1-methyl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
CID 71259421
N-(3,5-difluoro-2-pyridinyl)-1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 154031669
(4S)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-pyrazin-2-yl-3,4-dihydro-2H-chromene-7-sulfonamide
CID 126650552
(4S)-N-(6-fluoro-2-pyridinyl)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide
CID 126650434
1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 135324906
5-[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylnaphthalene-2-sulfonamide
CID 71586705
5-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
CID 86687351

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]indole-6-sulfonamide?
The IUPAC name of 1-methyl-3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]indole-6-sulfonamide (CID 71607928) is 1-methyl-3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]indole-6-sulfonamide.
What is the SMILES notation for 1-methyl-3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]indole-6-sulfonamide?
The canonical SMILES for 1-methyl-3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]indole-6-sulfonamide is Cc1sc(NS(=O)(=O)c2ccc3c(-c4ccc(C(F)(F)F)cc4-c4ccnn4C)cn(C)c3c2)nc1C(F)(F)F.
What is the InChIKey of 1-methyl-3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]indole-6-sulfonamide?
The InChIKey is RZIJZEQYJDMDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F6N5O2S2/c1-13-22(25(29,30)31)33-23(39-13)34-40(37,38)15-5-7-17-19(12-35(2)21(17)11-15)16-6-4-14(24(26,27)28)10-18(16)20-8-9-32-36(20)3/h4-12H,1-3H3,(H,33,34).
What are the key properties of 1-methyl-3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]indole-6-sulfonamide?
1-methyl-3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]indole-6-sulfonamide has a molecular weight of 599.58 g/mol, XLogP of 6.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]indole-6-sulfonamide is sourced from PubChem (CID 71607928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).