4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide

C11H14ClN5O2S — CID 116815573

IUPAC4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C11H14ClN5O2S/c12-6-1-2-7-20(18,19)14-10-4-3-5-11(8-10)17-9-13-15-16-17/h3-5,8-9,14H,1-2,6-7H2
InChIKeyOLGPWCKYZCANBN-UHFFFAOYSA-N
MW315.79 g/mol
LogP1.42
Rot. Bonds7

About 4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide

4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide (PubChem CID 116815573) has the molecular formula C11H14ClN5O2S and a molecular weight of 315.79 g/mol. Its IUPAC name is 4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide
PubChem CID116815573
Molecular FormulaC11H14ClN5O2S
Molecular Weight315.79 g/mol
Exact Mass315.06
IUPAC Name4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C11H14ClN5O2S/c12-6-1-2-7-20(18,19)14-10-4-3-5-11(8-10)17-9-13-15-16-17/h3-5,8-9,14H,1-2,6-7H2
InChIKeyOLGPWCKYZCANBN-UHFFFAOYSA-N
XLogP1.42
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
CID 43705672
2,3-dichloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8519287
3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7693123
4-chloro-N-(3-methylphenyl)butane-1-sulfonamide
CID 116815142
2-[[3-(tetrazol-1-yl)phenyl]sulfamoyl]propanoic acid
CID 61454990
N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9317050
N-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61250480
3-chloro-2,2-dimethyl-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 63679217
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 146021431
2-(2,6-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7692890
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
4-chloro-N-[3-[(dimethylamino)methyl]phenyl]butane-1-sulfonamide
CID 116815596

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide (CID 116815573) is 4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide is O=S(=O)(CCCCCl)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of 4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide?
The InChIKey is OLGPWCKYZCANBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O2S/c12-6-1-2-7-20(18,19)14-10-4-3-5-11(8-10)17-9-13-15-16-17/h3-5,8-9,14H,1-2,6-7H2.
What are the key properties of 4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide?
4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide has a molecular weight of 315.79 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(tetrazol-1-yl)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 116815573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).