2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide

C18H20ClNO4S — CID 113090921

IUPAC2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
SMILESCOc1ccc(C2(CNS(=O)(=O)c3ccccc3Cl)CC2)cc1OC
InChIInChI=1S/C18H20ClNO4S/c1-23-15-8-7-13(11-16(15)24-2)18(9-10-18)12-20-25(21,22)17-6-4-3-5-14(17)19/h3-8,11,20H,9-10,12H2,1-2H3
InChIKeyAHNMBHQHIVUACP-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.37
Rot. Bonds7

About 2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide

2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide (PubChem CID 113090921) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is 2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
PubChem CID113090921
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Name2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
SMILESCOc1ccc(C2(CNS(=O)(=O)c3ccccc3Cl)CC2)cc1OC
InChIInChI=1S/C18H20ClNO4S/c1-23-15-8-7-13(11-16(15)24-2)18(9-10-18)12-20-25(21,22)17-6-4-3-5-14(17)19/h3-8,11,20H,9-10,12H2,1-2H3
InChIKeyAHNMBHQHIVUACP-UHFFFAOYSA-N
XLogP3.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide
CID 1114580
2-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269699
3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 39628447
3,4-dimethoxy-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269288
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 110416686
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzenesulfonamide
CID 55477227
2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 8819063
2,5-dichloro-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269295
1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea
CID 113214892
2-chloro-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzenesulfonamide
CID 100731565
4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide
CID 110442796
2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27450418

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide (CID 113090921) is 2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide is COc1ccc(C2(CNS(=O)(=O)c3ccccc3Cl)CC2)cc1OC.
What is the InChIKey of 2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide?
The InChIKey is AHNMBHQHIVUACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-23-15-8-7-13(11-16(15)24-2)18(9-10-18)12-20-25(21,22)17-6-4-3-5-14(17)19/h3-8,11,20H,9-10,12H2,1-2H3.
What are the key properties of 2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide?
2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide has a molecular weight of 381.88 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide is sourced from PubChem (CID 113090921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).