N-(1-cyclohexyltetrazol-5-yl)benzenesulfonamide

C13H17N5O2S — CID 134093945

IUPACN-(1-cyclohexyltetrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nnnn1C1CCCCC1)c1ccccc1
InChIInChI=1S/C13H17N5O2S/c19-21(20,12-9-5-2-6-10-12)15-13-14-16-17-18(13)11-7-3-1-4-8-11/h2,5-6,9-11H,1,3-4,7-8H2,(H,14,15,17)
InChIKeyFNURTKASGRMJFO-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.98
Rot. Bonds4

About N-(1-cyclohexyltetrazol-5-yl)benzenesulfonamide

N-(1-cyclohexyltetrazol-5-yl)benzenesulfonamide (PubChem CID 134093945) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(1-cyclohexyltetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclohexyltetrazol-5-yl)benzenesulfonamide
PubChem CID134093945
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC NameN-(1-cyclohexyltetrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nnnn1C1CCCCC1)c1ccccc1
InChIInChI=1S/C13H17N5O2S/c19-21(20,12-9-5-2-6-10-12)15-13-14-16-17-18(13)11-7-3-1-4-8-11/h2,5-6,9-11H,1,3-4,7-8H2,(H,14,15,17)
InChIKeyFNURTKASGRMJFO-UHFFFAOYSA-N
XLogP1.98
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclohexyl-5-[(1R)-1-(3-methylphenyl)sulfonylethyl]tetrazole
CID 129399794
2-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]sulfonylpyridine
CID 124620967
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 858112
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazin-1-ium
CID 7383550
1-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidin-1-ium
CID 7382838
5-[2-(benzenesulfonyl)ethylsulfanyl]-1-cyclopropyltetrazole
CID 26389020
N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide
CID 67266397
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium
CID 7383044
1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 3201581
2-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline
CID 1433537

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyltetrazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(1-cyclohexyltetrazol-5-yl)benzenesulfonamide (CID 134093945) is N-(1-cyclohexyltetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-cyclohexyltetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(1-cyclohexyltetrazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1nnnn1C1CCCCC1)c1ccccc1.
What is the InChIKey of N-(1-cyclohexyltetrazol-5-yl)benzenesulfonamide?
The InChIKey is FNURTKASGRMJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c19-21(20,12-9-5-2-6-10-12)15-13-14-16-17-18(13)11-7-3-1-4-8-11/h2,5-6,9-11H,1,3-4,7-8H2,(H,14,15,17).
What are the key properties of N-(1-cyclohexyltetrazol-5-yl)benzenesulfonamide?
N-(1-cyclohexyltetrazol-5-yl)benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyltetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 134093945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).