5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide

C14H20ClN3O2S — CID 61110999

IUPAC5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)NCC2CCN(C3CC3)C2)c1
InChIInChI=1S/C14H20ClN3O2S/c15-13-4-1-11(16)7-14(13)21(19,20)17-8-10-5-6-18(9-10)12-2-3-12/h1,4,7,10,12,17H,2-3,5-6,8-9,16H2
InChIKeyRHYDPEIVIYLJEU-UHFFFAOYSA-N
MW329.85 g/mol
LogP1.68
Rot. Bonds5

About 5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide

5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide (PubChem CID 61110999) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide
PubChem CID61110999
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC Name5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)NCC2CCN(C3CC3)C2)c1
InChIInChI=1S/C14H20ClN3O2S/c15-13-4-1-11(16)7-14(13)21(19,20)17-8-10-5-6-18(9-10)12-2-3-12/h1,4,7,10,12,17H,2-3,5-6,8-9,16H2
InChIKeyRHYDPEIVIYLJEU-UHFFFAOYSA-N
XLogP1.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 51.68
H-Bond Donors ≤ 52
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-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43370966
5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119339
5-amino-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60855213
4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride
CID 119854816
5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106006680
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43100522
6-chloro-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-methylpyridine-3-sulfonamide
CID 95781637
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chlorobenzenesulfonamide
CID 43102600
3-[4-(azetidin-1-yl)cyclohexyl]sulfonyl-4-chloroaniline
CID 175014108
1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine
CID 164885281
4-amino-2-chloro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726955

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide (CID 61110999) is 5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide is Nc1ccc(Cl)c(S(=O)(=O)NCC2CCN(C3CC3)C2)c1.
What is the InChIKey of 5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is RHYDPEIVIYLJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2S/c15-13-4-1-11(16)7-14(13)21(19,20)17-8-10-5-6-18(9-10)12-2-3-12/h1,4,7,10,12,17H,2-3,5-6,8-9,16H2.
What are the key properties of 5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide?
5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 329.85 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 61110999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).