N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide

C18H18FN5O2S — CID 1177024

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)ccc1-n1cnnn1
InChIInChI=1S/C18H18FN5O2S/c1-13-10-16(8-9-18(13)23-12-20-21-22-23)27(25,26)24(15-6-7-15)11-14-4-2-3-5-17(14)19/h2-5,8-10,12,15H,6-7,11H2,1H3
InChIKeyTUUVETOZBABJNV-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.46
Rot. Bonds6

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 1177024) has the molecular formula C18H18FN5O2S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID1177024
Molecular FormulaC18H18FN5O2S
Molecular Weight387.44 g/mol
Exact Mass387.12
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)ccc1-n1cnnn1
InChIInChI=1S/C18H18FN5O2S/c1-13-10-16(8-9-18(13)23-12-20-21-22-23)27(25,26)24(15-6-7-15)11-14-4-2-3-5-17(14)19/h2-5,8-10,12,15H,6-7,11H2,1H3
InChIKeyTUUVETOZBABJNV-UHFFFAOYSA-N
XLogP2.46
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-3-methyl-N-[(1S,2R)-2-methylcyclohexyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177088
N-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177052
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide
CID 86854839
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 6985976
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1442048
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 1439526
1-N-benzyl-4-N-cyclopentyl-1-N-ethyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 3189960
N-(4-tert-butylphenyl)-N,3-dimethyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 49189548
N-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177054
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692045
1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 23610585
N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 55904602

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide (CID 1177024) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)ccc1-n1cnnn1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is TUUVETOZBABJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2S/c1-13-10-16(8-9-18(13)23-12-20-21-22-23)27(25,26)24(15-6-7-15)11-14-4-2-3-5-17(14)19/h2-5,8-10,12,15H,6-7,11H2,1H3.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 387.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 1177024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).