N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N-ethyl-N-methyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide

C31H35N5O4S4 — CID 144915967

IUPACN,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N-ethyl-N-methyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1ccc(-c2csc(-c3cccnc3)n2)cc1.CCN(CC)S(=O)(=O)c1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C17H17N3O2S2.C14H18N2O2S2/c1-3-20(2)24(21,22)15-8-6-13(7-9-15)16-12-23-17(19-16)14-5-4-10-18-11-14;1-4-16(5-2)20(17,18)13-8-6-12(7-9-13)14-10-19-11(3)15-14/h4-12H,3H2,1-2H3;6-10H,4-5H2,1-3H3
InChIKeyHAXFJWQGXUNICQ-UHFFFAOYSA-N
MW669.92 g/mol
LogP6.66
Rot. Bonds10

About N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N-ethyl-N-methyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide

N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N-ethyl-N-methyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 144915967) has the molecular formula C31H35N5O4S4 and a molecular weight of 669.92 g/mol. Its IUPAC name is N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N-ethyl-N-methyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N-ethyl-N-methyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID144915967
Molecular FormulaC31H35N5O4S4
Molecular Weight669.92 g/mol
Exact Mass669.16
IUPAC NameN,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N-ethyl-N-methyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1ccc(-c2csc(-c3cccnc3)n2)cc1.CCN(CC)S(=O)(=O)c1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C17H17N3O2S2.C14H18N2O2S2/c1-3-20(2)24(21,22)15-8-6-13(7-9-15)16-12-23-17(19-16)14-5-4-10-18-11-14;1-4-16(5-2)20(17,18)13-8-6-12(7-9-13)14-10-19-11(3)15-14/h4-12H,3H2,1-2H3;6-10H,4-5H2,1-3H3
InChIKeyHAXFJWQGXUNICQ-UHFFFAOYSA-N
XLogP6.66
TPSA113.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.92
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N-ethyl-N-methyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide with MolForge

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Related Compounds

4-(4-ethylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 849786
4-(4-fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 592589
N,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 9343639
4-methyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784245
N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 9343482
N-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline
CID 116965446
N,N-diethyl-4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzenesulfonamide
CID 8750581
N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 155961799
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 24648914
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonic acid
CID 118293667
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 43173625
N,N-diethyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583148

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N-ethyl-N-methyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N-ethyl-N-methyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide (CID 144915967) is N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N-ethyl-N-methyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N-ethyl-N-methyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N-ethyl-N-methyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide is CCN(C)S(=O)(=O)c1ccc(-c2csc(-c3cccnc3)n2)cc1.CCN(CC)S(=O)(=O)c1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N-ethyl-N-methyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is HAXFJWQGXUNICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2.C14H18N2O2S2/c1-3-20(2)24(21,22)15-8-6-13(7-9-15)16-12-23-17(19-16)14-5-4-10-18-11-14;1-4-16(5-2)20(17,18)13-8-6-12(7-9-13)14-10-19-11(3)15-14/h4-12H,3H2,1-2H3;6-10H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N-ethyl-N-methyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide?
N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N-ethyl-N-methyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 669.92 g/mol, XLogP of 6.66, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide;N-ethyl-N-methyl-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 144915967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).