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

C9H11N5O2S — CID 110720243

IUPACN-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C9H11N5O2S/c1-2-17(15,16)12-8-5-3-7(4-6-8)9-10-13-14-11-9/h3-6,12H,2H2,1H3,(H,10,11,13,14)
InChIKeyLQJWFEJKPSKNAP-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.63
Rot. Bonds4

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

N-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide (PubChem CID 110720243) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is N-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
PubChem CID110720243
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC NameN-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C9H11N5O2S/c1-2-17(15,16)12-8-5-3-7(4-6-8)9-10-13-14-11-9/h3-6,12H,2H2,1H3,(H,10,11,13,14)
InChIKeyLQJWFEJKPSKNAP-UHFFFAOYSA-N
XLogP0.63
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide
CID 110720244
4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720283
3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 78843376
2-methoxy-5-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720262
N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide
CID 110732607
4-(ethylsulfonylamino)benzenecarbothioamide
CID 24696000
2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 61261161
3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
CID 110720173
2-(4-methylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720232
5-(4-ethylsulfanylphenyl)-2H-tetrazole
CID 82650245
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287

Frequently Asked Questions

What is the IUPAC name of N-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide (CID 110720243) is N-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide?
The InChIKey is LQJWFEJKPSKNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-2-17(15,16)12-8-5-3-7(4-6-8)9-10-13-14-11-9/h3-6,12H,2H2,1H3,(H,10,11,13,14).
What are the key properties of N-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide?
N-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide has a molecular weight of 253.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 110720243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).