N-(2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide

C10H13N5O3S — CID 137499938

IUPACN-(2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H13N5O3S/c1-7(16)6-11-19(17,18)9-4-2-8(3-5-9)10-12-14-15-13-10/h2-5,7,11,16H,6H2,1H3,(H,12,13,14,15)
InChIKeyUVVMSZCEUAJDLQ-UHFFFAOYSA-N
MW283.31 g/mol
LogP-0.47
Rot. Bonds5

About N-(2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide

N-(2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 137499938) has the molecular formula C10H13N5O3S and a molecular weight of 283.31 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID137499938
Molecular FormulaC10H13N5O3S
Molecular Weight283.31 g/mol
Exact Mass283.07
IUPAC NameN-(2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H13N5O3S/c1-7(16)6-11-19(17,18)9-4-2-8(3-5-9)10-12-14-15-13-10/h2-5,7,11,16H,6H2,1H3,(H,12,13,14,15)
InChIKeyUVVMSZCEUAJDLQ-UHFFFAOYSA-N
XLogP-0.47
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720283
5-(4-tert-butylphenyl)-2H-tetrazole;4-tert-butyl-N-propylbenzenesulfonamide
CID 161306758
4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107858958
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
4-butanoyl-N-(2-hydroxypropyl)benzenesulfonamide
CID 82164615
N-[(2R)-2-hydroxypropyl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 24984295
N-[(2S)-2-hydroxypropyl]-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide
CID 24984292
N-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
CID 110720243
N-[(5-methoxypyrimidin-2-yl)methyl]-6-(2H-tetrazol-5-yl)pyridine-3-sulfonamide
CID 167901879
4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 46830882
3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 78843376

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide (CID 137499938) is N-(2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide is CC(O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-(2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is UVVMSZCEUAJDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3S/c1-7(16)6-11-19(17,18)9-4-2-8(3-5-9)10-12-14-15-13-10/h2-5,7,11,16H,6H2,1H3,(H,12,13,14,15).
What are the key properties of N-(2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide?
N-(2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 283.31 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 137499938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).