3-chloro-N-[2-(2H-tetrazol-5-yl)phenyl]naphthalene-2-sulfonamide

C17H12ClN5O2S — CID 166400588

IUPAC3-chloro-N-[2-(2H-tetrazol-5-yl)phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1nn[nH]n1)c1cc2ccccc2cc1Cl
InChIInChI=1S/C17H12ClN5O2S/c18-14-9-11-5-1-2-6-12(11)10-16(14)26(24,25)21-15-8-4-3-7-13(15)17-19-22-23-20-17/h1-10,21H,(H,19,20,22,23)
InChIKeySDBLHJRDNYXVCF-UHFFFAOYSA-N
MW385.84 g/mol
LogP3.47
Rot. Bonds4

About 3-chloro-N-[2-(2H-tetrazol-5-yl)phenyl]naphthalene-2-sulfonamide

3-chloro-N-[2-(2H-tetrazol-5-yl)phenyl]naphthalene-2-sulfonamide (PubChem CID 166400588) has the molecular formula C17H12ClN5O2S and a molecular weight of 385.84 g/mol. Its IUPAC name is 3-chloro-N-[2-(2H-tetrazol-5-yl)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2H-tetrazol-5-yl)phenyl]naphthalene-2-sulfonamide
PubChem CID166400588
Molecular FormulaC17H12ClN5O2S
Molecular Weight385.84 g/mol
Exact Mass385.04
IUPAC Name3-chloro-N-[2-(2H-tetrazol-5-yl)phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1nn[nH]n1)c1cc2ccccc2cc1Cl
InChIInChI=1S/C17H12ClN5O2S/c18-14-9-11-5-1-2-6-12(11)10-16(14)26(24,25)21-15-8-4-3-7-13(15)17-19-22-23-20-17/h1-10,21H,(H,19,20,22,23)
InChIKeySDBLHJRDNYXVCF-UHFFFAOYSA-N
XLogP3.47
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline
CID 125465363
N-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline
CID 125465468
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370119
N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)aniline
CID 135372809
2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide
CID 70133318
4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 44576535
2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 8823439
4-amino-N-[2-(1H-benzimidazol-2-yl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 91442345
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide
CID 171350497
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide
CID 68576695
5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide
CID 56942318

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2H-tetrazol-5-yl)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of 3-chloro-N-[2-(2H-tetrazol-5-yl)phenyl]naphthalene-2-sulfonamide (CID 166400588) is 3-chloro-N-[2-(2H-tetrazol-5-yl)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(2H-tetrazol-5-yl)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for 3-chloro-N-[2-(2H-tetrazol-5-yl)phenyl]naphthalene-2-sulfonamide is O=S(=O)(Nc1ccccc1-c1nn[nH]n1)c1cc2ccccc2cc1Cl.
What is the InChIKey of 3-chloro-N-[2-(2H-tetrazol-5-yl)phenyl]naphthalene-2-sulfonamide?
The InChIKey is SDBLHJRDNYXVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O2S/c18-14-9-11-5-1-2-6-12(11)10-16(14)26(24,25)21-15-8-4-3-7-13(15)17-19-22-23-20-17/h1-10,21H,(H,19,20,22,23).
What are the key properties of 3-chloro-N-[2-(2H-tetrazol-5-yl)phenyl]naphthalene-2-sulfonamide?
3-chloro-N-[2-(2H-tetrazol-5-yl)phenyl]naphthalene-2-sulfonamide has a molecular weight of 385.84 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2H-tetrazol-5-yl)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 166400588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).