N-[(1R)-1-[5-bromo-6-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]-4-chlorobenzenesulfonamide

C19H19BrClF2N3O2S — CID 71098176

IUPACN-[(1R)-1-[5-bromo-6-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]-4-chlorobenzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(Br)c(C(C)(F)F)cc21
InChIInChI=1S/C19H19BrClF2N3O2S/c1-4-26-17-9-14(19(3,22)23)15(20)10-16(17)24-18(26)11(2)25-29(27,28)13-7-5-12(21)6-8-13/h5-11,25H,4H2,1-3H3/t11-/m1/s1
InChIKeyWNOLNSLKSFHZSO-LLVKDONJSA-N
MW506.80 g/mol
LogP5.62
Rot. Bonds6

About N-[(1R)-1-[5-bromo-6-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]-4-chlorobenzenesulfonamide

N-[(1R)-1-[5-bromo-6-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]-4-chlorobenzenesulfonamide (PubChem CID 71098176) has the molecular formula C19H19BrClF2N3O2S and a molecular weight of 506.80 g/mol. Its IUPAC name is N-[(1R)-1-[5-bromo-6-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-bromo-6-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]-4-chlorobenzenesulfonamide
PubChem CID71098176
Molecular FormulaC19H19BrClF2N3O2S
Molecular Weight506.80 g/mol
Exact Mass505.00
IUPAC NameN-[(1R)-1-[5-bromo-6-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]-4-chlorobenzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(Br)c(C(C)(F)F)cc21
InChIInChI=1S/C19H19BrClF2N3O2S/c1-4-26-17-9-14(19(3,22)23)15(20)10-16(17)24-18(26)11(2)25-29(27,28)13-7-5-12(21)6-8-13/h5-11,25H,4H2,1-3H3/t11-/m1/s1
InChIKeyWNOLNSLKSFHZSO-LLVKDONJSA-N
XLogP5.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.80
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-[5-bromo-6-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]-4-chlorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide
CID 143667876
4-chloro-N-[1-(6-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177181
2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide
CID 68647103
4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
CID 91059115
4-chloro-N-[1-(3-chloro-5-ethylimidazo[4,5-c]pyridazin-6-yl)ethyl]benzenesulfonamide
CID 72535691
4-chloro-N-[(1R)-1-(1-ethyl-4-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177269
5-bromo-6-chloro-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]pyridine-3-sulfonamide
CID 59177139
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-fluorobenzenesulfonamide
CID 59177065
3-chloro-N-[1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
CID 72535695
4-amino-N-[1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
CID 68647024
3-amino-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-fluorobenzenesulfonamide
CID 89272255
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-1-oxidopyridin-1-ium-4-sulfonamide
CID 59177112

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-bromo-6-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[(1R)-1-[5-bromo-6-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]-4-chlorobenzenesulfonamide (CID 71098176) is N-[(1R)-1-[5-bromo-6-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-[5-bromo-6-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-[5-bromo-6-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]-4-chlorobenzenesulfonamide is CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(Br)c(C(C)(F)F)cc21.
What is the InChIKey of N-[(1R)-1-[5-bromo-6-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]-4-chlorobenzenesulfonamide?
The InChIKey is WNOLNSLKSFHZSO-LLVKDONJSA-N. The full InChI is InChI=1S/C19H19BrClF2N3O2S/c1-4-26-17-9-14(19(3,22)23)15(20)10-16(17)24-18(26)11(2)25-29(27,28)13-7-5-12(21)6-8-13/h5-11,25H,4H2,1-3H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-[5-bromo-6-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]-4-chlorobenzenesulfonamide?
N-[(1R)-1-[5-bromo-6-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]-4-chlorobenzenesulfonamide has a molecular weight of 506.80 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-bromo-6-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 71098176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).