5-bromo-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide

C20H20BrN3O4S — CID 30787552

IUPAC5-bromo-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H20BrN3O4S/c1-13-2-4-16(12-19(13)29(26,27)24-6-8-28-9-7-24)22-20(25)18-11-14-10-15(21)3-5-17(14)23-18/h2-5,10-12,23H,6-9H2,1H3,(H,22,25)
InChIKeyUSKRIXFFBRPHKC-UHFFFAOYSA-N
MW478.37 g/mol
LogP3.51
Rot. Bonds4

About 5-bromo-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide

5-bromo-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide (PubChem CID 30787552) has the molecular formula C20H20BrN3O4S and a molecular weight of 478.37 g/mol. Its IUPAC name is 5-bromo-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide
PubChem CID30787552
Molecular FormulaC20H20BrN3O4S
Molecular Weight478.37 g/mol
Exact Mass477.04
IUPAC Name5-bromo-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H20BrN3O4S/c1-13-2-4-16(12-19(13)29(26,27)24-6-8-28-9-7-24)22-20(25)18-11-14-10-15(21)3-5-17(14)23-18/h2-5,10-12,23H,6-9H2,1H3,(H,22,25)
InChIKeyUSKRIXFFBRPHKC-UHFFFAOYSA-N
XLogP3.51
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide
CID 46566663
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CID 26438150
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4691629
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 25434857
4-(3,6-dioxodiazinan-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 47074202
6-bromo-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indole-2-carboxamide
CID 55556273
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea
CID 169358512
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
3-(3-bromophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 29436303

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide (CID 30787552) is 5-bromo-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide is Cc1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 5-bromo-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide?
The InChIKey is USKRIXFFBRPHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O4S/c1-13-2-4-16(12-19(13)29(26,27)24-6-8-28-9-7-24)22-20(25)18-11-14-10-15(21)3-5-17(14)23-18/h2-5,10-12,23H,6-9H2,1H3,(H,22,25).
What are the key properties of 5-bromo-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide?
5-bromo-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide has a molecular weight of 478.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 30787552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).