N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide

C14H19N5O2S — CID 1451970

IUPACN-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCCC1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H19N5O2S/c20-22(21,16-10-12-4-2-1-3-5-12)14-8-6-13(7-9-14)19-11-15-17-18-19/h6-9,11-12,16H,1-5,10H2
InChIKeyVDWXDPCZXLNOOF-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.52
Rot. Bonds5

About N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide

N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 1451970) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID1451970
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCCC1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H19N5O2S/c20-22(21,16-10-12-4-2-1-3-5-12)14-8-6-13(7-9-14)19-11-15-17-18-19/h6-9,11-12,16H,1-5,10H2
InChIKeyVDWXDPCZXLNOOF-UHFFFAOYSA-N
XLogP1.52
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 650971
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305
N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine
CID 3173758
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 24792691
2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 136590042
4-(cyclobutylmethylsulfamoyl)benzoic acid
CID 43275322
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907
4-(tetrazol-1-yl)benzenesulfonamide
CID 1239248
4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
CID 1448139
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide (CID 1451970) is N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide is O=S(=O)(NCC1CCCCC1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is VDWXDPCZXLNOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c20-22(21,16-10-12-4-2-1-3-5-12)14-8-6-13(7-9-14)19-11-15-17-18-19/h6-9,11-12,16H,1-5,10H2.
What are the key properties of N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide?
N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 321.41 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 1451970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).