N,N,4-trimethyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzamide

C16H22N4O3S — CID 154839852

IUPACN,N,4-trimethyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C16H22N4O3S/c1-10-7-8-13(16(21)19(4)5)9-14(10)18-24(22,23)15-11(2)17-20(6)12(15)3/h7-9,18H,1-6H3
InChIKeyAQEQJFAZTHCVOV-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.85
Rot. Bonds4

About N,N,4-trimethyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzamide

N,N,4-trimethyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzamide (PubChem CID 154839852) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N,N,4-trimethyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN,N,4-trimethyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzamide
PubChem CID154839852
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN,N,4-trimethyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C16H22N4O3S/c1-10-7-8-13(16(21)19(4)5)9-14(10)18-24(22,23)15-11(2)17-20(6)12(15)3/h7-9,18H,1-6H3
InChIKeyAQEQJFAZTHCVOV-UHFFFAOYSA-N
XLogP1.85
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822254
N,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide
CID 62999680
N,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide
CID 60534815
N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822446
N,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide
CID 60534940
N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773601
N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822901
N-(4-fluoro-2-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 63676567
N-(5-chloro-2-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62062450
N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773457
3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
CID 39833364
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzamide?
The IUPAC name of N,N,4-trimethyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzamide (CID 154839852) is N,N,4-trimethyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzamide.
What is the SMILES notation for N,N,4-trimethyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzamide?
The canonical SMILES for N,N,4-trimethyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzamide is Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N,N,4-trimethyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzamide?
The InChIKey is AQEQJFAZTHCVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-10-7-8-13(16(21)19(4)5)9-14(10)18-24(22,23)15-11(2)17-20(6)12(15)3/h7-9,18H,1-6H3.
What are the key properties of N,N,4-trimethyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzamide?
N,N,4-trimethyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzamide has a molecular weight of 350.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzamide is sourced from PubChem (CID 154839852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).