3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide

C12H16Cl2N2O3S — CID 106119157

IUPAC3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESNc1c(Cl)ccc(S(=O)(=O)NCC2CCC(O)C2)c1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c13-9-3-4-10(11(14)12(9)15)20(18,19)16-6-7-1-2-8(17)5-7/h3-4,7-8,16-17H,1-2,5-6,15H2
InChIKeyWIXRQLZLLBXQFH-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.01
Rot. Bonds4

About 3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide

3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide (PubChem CID 106119157) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is 3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
PubChem CID106119157
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC Name3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESNc1c(Cl)ccc(S(=O)(=O)NCC2CCC(O)C2)c1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c13-9-3-4-10(11(14)12(9)15)20(18,19)16-6-7-1-2-8(17)5-7/h3-4,7-8,16-17H,1-2,5-6,15H2
InChIKeyWIXRQLZLLBXQFH-UHFFFAOYSA-N
XLogP2.01
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119339
2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270335
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119168
2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide
CID 106119187
3-amino-2,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119335
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 104859262
3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270183
2,4-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106000246
5-amino-3-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119384
3-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106120509

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide (CID 106119157) is 3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide is Nc1c(Cl)ccc(S(=O)(=O)NCC2CCC(O)C2)c1Cl.
What is the InChIKey of 3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
The InChIKey is WIXRQLZLLBXQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c13-9-3-4-10(11(14)12(9)15)20(18,19)16-6-7-1-2-8(17)5-7/h3-4,7-8,16-17H,1-2,5-6,15H2.
What are the key properties of 3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide?
3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide has a molecular weight of 339.24 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106119157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).