N-cyclopropyl-2-fluoro-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide

C16H22FN3O3S — CID 78852420

IUPACN-cyclopropyl-2-fluoro-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
SMILESCN1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1
InChIInChI=1S/C16H22FN3O3S/c1-19-7-2-8-20(10-9-19)16(21)12-3-6-14(17)15(11-12)24(22,23)18-13-4-5-13/h3,6,11,13,18H,2,4-5,7-10H2,1H3
InChIKeyUVTNSJHJQBEWEC-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.04
Rot. Bonds4

About N-cyclopropyl-2-fluoro-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide

N-cyclopropyl-2-fluoro-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide (PubChem CID 78852420) has the molecular formula C16H22FN3O3S and a molecular weight of 355.44 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
PubChem CID78852420
Molecular FormulaC16H22FN3O3S
Molecular Weight355.44 g/mol
Exact Mass355.14
IUPAC NameN-cyclopropyl-2-fluoro-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
SMILESCN1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1
InChIInChI=1S/C16H22FN3O3S/c1-19-7-2-8-20(10-9-19)16(21)12-3-6-14(17)15(11-12)24(22,23)18-13-4-5-13/h3,6,11,13,18H,2,4-5,7-10H2,1H3
InChIKeyUVTNSJHJQBEWEC-UHFFFAOYSA-N
XLogP1.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 154750779
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
2-bromo-N,N-dimethyl-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 78769697
4-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 55724450
N-cyclopentyl-2-methoxy-5-[4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55644273
(4-methyl-1,4-diazepan-1-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone
CID 136575619
3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide
CID 31966533
(3,4-dihydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 103956223
5-[4-(4-cyanophenyl)-1,4-diazepane-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 55716174
N-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]methanesulfonamide
CID 63212360
3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid
CID 43510377
3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 79180239

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-fluoro-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide (CID 78852420) is N-cyclopropyl-2-fluoro-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide is CN1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1.
What is the InChIKey of N-cyclopropyl-2-fluoro-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide?
The InChIKey is UVTNSJHJQBEWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3S/c1-19-7-2-8-20(10-9-19)16(21)12-3-6-14(17)15(11-12)24(22,23)18-13-4-5-13/h3,6,11,13,18H,2,4-5,7-10H2,1H3.
What are the key properties of N-cyclopropyl-2-fluoro-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide?
N-cyclopropyl-2-fluoro-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide has a molecular weight of 355.44 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 78852420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).