N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide

C19H28N4O2S — CID 51499811

IUPACN-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NC[C@H](c1ccccc1)N1CCCCCC1
InChIInChI=1S/C19H28N4O2S/c1-16-19(15-22(2)21-16)26(24,25)20-14-18(17-10-6-5-7-11-17)23-12-8-3-4-9-13-23/h5-7,10-11,15,18,20H,3-4,8-9,12-14H2,1-2H3/t18-/m1/s1
InChIKeyILEIFNNAOFXNKE-GOSISDBHSA-N
MW376.53 g/mol
LogP2.62
Rot. Bonds6

About N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide

N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 51499811) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID51499811
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC NameN-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NC[C@H](c1ccccc1)N1CCCCCC1
InChIInChI=1S/C19H28N4O2S/c1-16-19(15-22(2)21-16)26(24,25)20-14-18(17-10-6-5-7-11-17)23-12-8-3-4-9-13-23/h5-7,10-11,15,18,20H,3-4,8-9,12-14H2,1-2H3/t18-/m1/s1
InChIKeyILEIFNNAOFXNKE-GOSISDBHSA-N
XLogP2.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 46966777
4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014
4-chloro-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 55689576
1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 19681194
2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 110357461
4-methyl-3-[(2-phenyl-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid
CID 154745470
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 51499769
3-methyl-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]triazole-4-sulfonamide
CID 99789561
1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
CID 17377259
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-methylbenzenesulfonamide
CID 43956561
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559247
1,5-dimethyl-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]pyrazole-4-sulfonamide
CID 51853490

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 51499811) is N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NC[C@H](c1ccccc1)N1CCCCCC1.
What is the InChIKey of N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is ILEIFNNAOFXNKE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-16-19(15-22(2)21-16)26(24,25)20-14-18(17-10-6-5-7-11-17)23-12-8-3-4-9-13-23/h5-7,10-11,15,18,20H,3-4,8-9,12-14H2,1-2H3/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 376.53 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 51499811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).