3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide

C13H9Cl2N5O2S — CID 78843376

IUPAC3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H9Cl2N5O2S/c14-9-5-10(15)7-12(6-9)23(21,22)18-11-3-1-8(2-4-11)13-16-19-20-17-13/h1-7,18H,(H,16,17,19,20)
InChIKeyCARWRAGCNLTDKS-UHFFFAOYSA-N
MW370.22 g/mol
LogP2.97
Rot. Bonds4

About 3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide

3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 78843376) has the molecular formula C13H9Cl2N5O2S and a molecular weight of 370.22 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
PubChem CID78843376
Molecular FormulaC13H9Cl2N5O2S
Molecular Weight370.22 g/mol
Exact Mass368.99
IUPAC Name3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H9Cl2N5O2S/c14-9-5-10(15)7-12(6-9)23(21,22)18-11-3-1-8(2-4-11)13-16-19-20-17-13/h1-7,18H,(H,16,17,19,20)
InChIKeyCARWRAGCNLTDKS-UHFFFAOYSA-N
XLogP2.97
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720283
N-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
CID 110720243
3,5-dichloro-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 72547025
N-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide
CID 110720244
2-methoxy-5-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720262
4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 8823430
3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide
CID 8603698
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370119
4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 46830882
3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714618
4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720303
4-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580843

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide (CID 78843376) is 3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is CARWRAGCNLTDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5O2S/c14-9-5-10(15)7-12(6-9)23(21,22)18-11-3-1-8(2-4-11)13-16-19-20-17-13/h1-7,18H,(H,16,17,19,20).
What are the key properties of 3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide?
3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 370.22 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 78843376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).