N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide

C17H16FN5O2S — CID 86854839

IUPACN-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(-n2cnnn2)c1)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C17H16FN5O2S/c18-14-4-1-3-13(9-14)11-23(15-7-8-15)26(24,25)17-6-2-5-16(10-17)22-12-19-20-21-22/h1-6,9-10,12,15H,7-8,11H2
InChIKeyRIDWHAZZZTVSQE-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.15
Rot. Bonds6

About N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide

N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 86854839) has the molecular formula C17H16FN5O2S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide
PubChem CID86854839
Molecular FormulaC17H16FN5O2S
Molecular Weight373.41 g/mol
Exact Mass373.10
IUPAC NameN-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(-n2cnnn2)c1)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C17H16FN5O2S/c18-14-4-1-3-13(9-14)11-23(15-7-8-15)26(24,25)17-6-2-5-16(10-17)22-12-19-20-21-22/h1-6,9-10,12,15H,7-8,11H2
InChIKeyRIDWHAZZZTVSQE-UHFFFAOYSA-N
XLogP2.15
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-(oxolan-3-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide
CID 47814417
N-cyclopropyl-4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 87032983
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 47268028
N-methyl-N-(oxan-2-ylmethyl)-3-(tetrazol-1-yl)benzenesulfonamide
CID 86854844
N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 654569
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177024
2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid
CID 54946257
3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide
CID 31820934
N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496100
N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide
CID 43136997
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(tetrazol-1-yl)benzenesulfonamide
CID 52519305
N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806933

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide (CID 86854839) is N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide is O=S(=O)(c1cccc(-n2cnnn2)c1)N(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is RIDWHAZZZTVSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2S/c18-14-4-1-3-13(9-14)11-23(15-7-8-15)26(24,25)17-6-2-5-16(10-17)22-12-19-20-21-22/h1-6,9-10,12,15H,7-8,11H2.
What are the key properties of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide?
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 373.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 86854839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).