5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide

C10H13ClN2O2S — CID 29031468

IUPAC5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C10H13ClN2O2S/c11-9-4-3-8(12)5-10(9)16(14,15)13-6-7-1-2-7/h3-5,7,13H,1-2,6,12H2
InChIKeyOJFSYSXJNOXSQJ-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.61
Rot. Bonds4

About 5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide

5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide (PubChem CID 29031468) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
PubChem CID29031468
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C10H13ClN2O2S/c11-9-4-3-8(12)5-10(9)16(14,15)13-6-7-1-2-7/h3-5,7,13H,1-2,6,12H2
InChIKeyOJFSYSXJNOXSQJ-UHFFFAOYSA-N
XLogP1.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43370966
5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119339
5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 61110999
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43100522
4-amino-2-chloro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726955
5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106006680
4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide
CID 43255757
5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide
CID 43370937
5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115078
2,5-dichloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66007400
5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
CID 61111529
5-amino-2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzenesulfonamide
CID 65206688

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide (CID 29031468) is 5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide is Nc1ccc(Cl)c(S(=O)(=O)NCC2CC2)c1.
What is the InChIKey of 5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide?
The InChIKey is OJFSYSXJNOXSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c11-9-4-3-8(12)5-10(9)16(14,15)13-6-7-1-2-7/h3-5,7,13H,1-2,6,12H2.
What are the key properties of 5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide?
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide has a molecular weight of 260.75 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide is sourced from PubChem (CID 29031468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).