N-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide

C18H26N4O2S — CID 31080299

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C18H26N4O2S/c1-20(25(23,24)22-11-7-2-3-8-12-22)14-18-13-19-21(16-18)15-17-9-5-4-6-10-17/h4-6,9-10,13,16H,2-3,7-8,11-12,14-15H2,1H3
InChIKeyZOGYTAPPRSYZCZ-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.48
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide

N-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide (PubChem CID 31080299) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide
PubChem CID31080299
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C18H26N4O2S/c1-20(25(23,24)22-11-7-2-3-8-12-22)14-18-13-19-21(16-18)15-17-9-5-4-6-10-17/h4-6,9-10,13,16H,2-3,7-8,11-12,14-15H2,1H3
InChIKeyZOGYTAPPRSYZCZ-UHFFFAOYSA-N
XLogP2.48
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32623057
N-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyltetrazole-5-sulfonamide
CID 146149191
N-[(1-benzylpyrazol-4-yl)methyl]-4-bromo-N,3-dimethylbenzenesulfonamide
CID 26545286
(3S)-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 35431927
(3S)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 26009926
(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]propan-1-one
CID 40810316
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
N-[(1-benzylpyrazol-4-yl)methyl]-4-methylpiperazine-1-sulfonamide
CID 146105041
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 166427424
N-[(1-benzylpyrazol-4-yl)methyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 39626127
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpiperidine-1-sulfonamide
CID 60922991
N-[(1-benzylpyrazol-4-yl)methyl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 87007514

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide (CID 31080299) is N-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide is CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide?
The InChIKey is ZOGYTAPPRSYZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-20(25(23,24)22-11-7-2-3-8-12-22)14-18-13-19-21(16-18)15-17-9-5-4-6-10-17/h4-6,9-10,13,16H,2-3,7-8,11-12,14-15H2,1H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide?
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide has a molecular weight of 362.50 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide is sourced from PubChem (CID 31080299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).