N-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide

C12H17ClN2O3S — CID 63252482

IUPACN-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)NC1CCCC1N
InChIInChI=1S/C12H17ClN2O3S/c1-18-11-7-8(13)5-6-12(11)19(16,17)15-10-4-2-3-9(10)14/h5-7,9-10,15H,2-4,14H2,1H3
InChIKeyAUIQOBRNDAUCQX-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.51
Rot. Bonds4

About N-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide

N-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide (PubChem CID 63252482) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is N-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide
PubChem CID63252482
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC NameN-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)NC1CCCC1N
InChIInChI=1S/C12H17ClN2O3S/c1-18-11-7-8(13)5-6-12(11)19(16,17)15-10-4-2-3-9(10)14/h5-7,9-10,15H,2-4,14H2,1H3
InChIKeyAUIQOBRNDAUCQX-UHFFFAOYSA-N
XLogP1.51
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide
CID 63252483
N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
CID 61038243
cis-(1R,3S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321526
N-(2-aminocyclohexyl)-4-chloro-2-nitrobenzenesulfonamide
CID 61037370
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide
CID 103835940
methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate
CID 120711044
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide
CID 63258487
4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methoxybenzenesulfonamide
CID 62665519
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62697684
N-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide
CID 93453513
N-(2-aminocyclopentyl)-3,4-dichlorobenzenesulfonamide
CID 63252169

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide?
The IUPAC name of N-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide (CID 63252482) is N-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide is COc1cc(Cl)ccc1S(=O)(=O)NC1CCCC1N.
What is the InChIKey of N-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide?
The InChIKey is AUIQOBRNDAUCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-18-11-7-8(13)5-6-12(11)19(16,17)15-10-4-2-3-9(10)14/h5-7,9-10,15H,2-4,14H2,1H3.
What are the key properties of N-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide?
N-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide has a molecular weight of 304.80 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 63252482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).