N,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide

C19H27N5O2S — CID 650971

IUPACN,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(-n2cnnn2)cc1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H27N5O2S/c25-27(26,19-13-11-16(12-14-19)23-15-20-21-22-23)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-15,17-18H,1-10H2
InChIKeyVTCZJOHVRWWNFR-UHFFFAOYSA-N
MW389.53 g/mol
LogP3.32
Rot. Bonds5

About N,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide

N,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 650971) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is N,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID650971
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC NameN,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(-n2cnnn2)cc1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H27N5O2S/c25-27(26,19-13-11-16(12-14-19)23-15-20-21-22-23)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-15,17-18H,1-10H2
InChIKeyVTCZJOHVRWWNFR-UHFFFAOYSA-N
XLogP3.32
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclohexylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide
CID 1451970
N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 654569
2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine
CID 3173758
4-(tetrazol-1-yl)benzenesulfonamide
CID 1239248
4-(azepan-1-ylsulfonyl)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 1448327
1-(4-ethenylsulfonylphenyl)tetrazole
CID 102223380
4-(tetrazol-1-yl)benzaldehyde
CID 55266152
N,N-dimethyl-4-[4-(tetrazol-1-yl)phenoxy]piperidine-1-sulfonamide
CID 46262720
4-(tetrazol-1-yl)phenolate
CID 101371881
[(2R)-2-methylpiperidin-1-yl]-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone
CID 1456456
N-tert-butyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214812
2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine
CID 49239732

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide (CID 650971) is N,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide is O=S(=O)(c1ccc(-n2cnnn2)cc1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is VTCZJOHVRWWNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c25-27(26,19-13-11-16(12-14-19)23-15-20-21-22-23)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-15,17-18H,1-10H2.
What are the key properties of N,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide?
N,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 389.53 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 650971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).