3-(aminomethyl)-5-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide

C11H12ClFN4O2S — CID 106069348

IUPAC3-(aminomethyl)-5-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
SMILESNCc1cc(Cl)cc(S(=O)(=O)NCc2ncc[nH]2)c1F
InChIInChI=1S/C11H12ClFN4O2S/c12-8-3-7(5-14)11(13)9(4-8)20(18,19)17-6-10-15-1-2-16-10/h1-4,17H,5-6,14H2,(H,15,16)
InChIKeyOLNMQHCXUBVOPG-UHFFFAOYSA-N
MW318.76 g/mol
LogP1.14
Rot. Bonds5

About 3-(aminomethyl)-5-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide

3-(aminomethyl)-5-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide (PubChem CID 106069348) has the molecular formula C11H12ClFN4O2S and a molecular weight of 318.76 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
PubChem CID106069348
Molecular FormulaC11H12ClFN4O2S
Molecular Weight318.76 g/mol
Exact Mass318.04
IUPAC Name3-(aminomethyl)-5-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
SMILESNCc1cc(Cl)cc(S(=O)(=O)NCc2ncc[nH]2)c1F
InChIInChI=1S/C11H12ClFN4O2S/c12-8-3-7(5-14)11(13)9(4-8)20(18,19)17-6-10-15-1-2-16-10/h1-4,17H,5-6,14H2,(H,15,16)
InChIKeyOLNMQHCXUBVOPG-UHFFFAOYSA-N
XLogP1.14
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64532116
3-(aminomethyl)-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383910
3-(aminomethyl)-5-chloro-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018286
3-(aminomethyl)-5-chloro-2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055679
2,4-difluoro-N-(1H-imidazol-2-ylmethyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106069224
5-(aminomethyl)-3-bromo-N-(1H-imidazol-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106069335
5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide
CID 64529732
1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
CID 64530642
N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
CID 64531136
5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
CID 64606709
3-(aminomethyl)-2,5-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107680363
3-(aminomethyl)-5-chloro-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 106065535

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-5-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide (CID 106069348) is 3-(aminomethyl)-5-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide is NCc1cc(Cl)cc(S(=O)(=O)NCc2ncc[nH]2)c1F.
What is the InChIKey of 3-(aminomethyl)-5-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is OLNMQHCXUBVOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4O2S/c12-8-3-7(5-14)11(13)9(4-8)20(18,19)17-6-10-15-1-2-16-10/h1-4,17H,5-6,14H2,(H,15,16).
What are the key properties of 3-(aminomethyl)-5-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
3-(aminomethyl)-5-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 318.76 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106069348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).