N-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide

C19H21ClN2O3S — CID 55691640

IUPACN-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-12-17(20)4-3-5-18(12)26(24,25)22-13(2)14-8-10-16(11-9-14)21-19(23)15-6-7-15/h3-5,8-11,13,15,22H,6-7H2,1-2H3,(H,21,23)
InChIKeyXKAZSOBYPMFXBD-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.04
Rot. Bonds6

About N-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 55691640) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID55691640
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-12-17(20)4-3-5-18(12)26(24,25)22-13(2)14-8-10-16(11-9-14)21-19(23)15-6-7-15/h3-5,8-11,13,15,22H,6-7H2,1-2H3,(H,21,23)
InChIKeyXKAZSOBYPMFXBD-UHFFFAOYSA-N
XLogP4.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55598275
N-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595962
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[4-[1-[(4-cyclohexylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55598955
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 95733866
(2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79010898
N-[4-[1-(naphthalen-2-ylmethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 75396185
N-[4-[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 19630056
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[4-[(2-chloro-4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 32677158
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 65314246

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide (CID 55691640) is N-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide is Cc1c(Cl)cccc1S(=O)(=O)NC(C)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is XKAZSOBYPMFXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-12-17(20)4-3-5-18(12)26(24,25)22-13(2)14-8-10-16(11-9-14)21-19(23)15-6-7-15/h3-5,8-11,13,15,22H,6-7H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 392.91 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55691640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).