N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide

C14H12ClN5O2S — CID 169370119

IUPACN-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H12ClN5O2S/c1-9-2-5-11(6-3-9)23(21,22)18-13-8-10(15)4-7-12(13)14-16-19-20-17-14/h2-8,18H,1H3,(H,16,17,19,20)
InChIKeyIPQGVKAMJAMQFO-UHFFFAOYSA-N
MW349.80 g/mol
LogP2.63
Rot. Bonds4

About N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide

N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169370119) has the molecular formula C14H12ClN5O2S and a molecular weight of 349.80 g/mol. Its IUPAC name is N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID169370119
Molecular FormulaC14H12ClN5O2S
Molecular Weight349.80 g/mol
Exact Mass349.04
IUPAC NameN-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H12ClN5O2S/c1-9-2-5-11(6-3-9)23(21,22)18-13-8-10(15)4-7-12(13)14-16-19-20-17-14/h2-8,18H,1H3,(H,16,17,19,20)
InChIKeyIPQGVKAMJAMQFO-UHFFFAOYSA-N
XLogP2.63
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 44576535
N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide
CID 171350497
4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 46830882
4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide
CID 25048371
N-[4-chloro-2-(chloromethyl)phenyl]-4-methylbenzenesulfonamide
CID 163288986
N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 75458531
4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride
CID 12750523
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide
CID 171357428
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169370059
3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 78843376
N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
CID 19133397

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide (CID 169370119) is N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)cc1.
What is the InChIKey of N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is IPQGVKAMJAMQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O2S/c1-9-2-5-11(6-3-9)23(21,22)18-13-8-10(15)4-7-12(13)14-16-19-20-17-14/h2-8,18H,1H3,(H,16,17,19,20).
What are the key properties of N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide?
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 349.80 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).