N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide

C18H18ClNO5S — CID 110427928

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C(=O)C3CC3)cc2)c(OC)cc1Cl
InChIInChI=1S/C18H18ClNO5S/c1-24-16-10-15(17(25-2)9-14(16)19)20-26(22,23)13-7-5-12(6-8-13)18(21)11-3-4-11/h5-11,20H,3-4H2,1-2H3
InChIKeyQMQBCHGCWLCXNS-UHFFFAOYSA-N
MW395.86 g/mol
LogP3.75
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide

N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide (PubChem CID 110427928) has the molecular formula C18H18ClNO5S and a molecular weight of 395.86 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide
PubChem CID110427928
Molecular FormulaC18H18ClNO5S
Molecular Weight395.86 g/mol
Exact Mass395.06
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C(=O)C3CC3)cc2)c(OC)cc1Cl
InChIInChI=1S/C18H18ClNO5S/c1-24-16-10-15(17(25-2)9-14(16)19)20-26(22,23)13-7-5-12(6-8-13)18(21)11-3-4-11/h5-11,20H,3-4H2,1-2H3
InChIKeyQMQBCHGCWLCXNS-UHFFFAOYSA-N
XLogP3.75
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.86
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate
CID 110424063
4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 7940785
(4-chloro-3-methoxyphenyl)-cyclopropylmethanone
CID 79700352
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22774049
4-butyl-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 22774048
N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2553216
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823558
N-(5-chloro-2,4-dimethoxyphenyl)-4-(dimethylamino)benzenesulfonamide
CID 167884327
4-acetyl-N-(2-methoxy-4,5-dimethylphenyl)benzenesulfonamide
CID 110776856
N-(5-chloro-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7510365
4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 110620835

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide (CID 110427928) is N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(C(=O)C3CC3)cc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide?
The InChIKey is QMQBCHGCWLCXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5S/c1-24-16-10-15(17(25-2)9-14(16)19)20-26(22,23)13-7-5-12(6-8-13)18(21)11-3-4-11/h5-11,20H,3-4H2,1-2H3.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide has a molecular weight of 395.86 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide is sourced from PubChem (CID 110427928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).