2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide

C10H16ClN3O4S2 — CID 106333180

IUPAC2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
SMILESCS(=O)(=O)NCCCNS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H16ClN3O4S2/c1-19(15,16)13-5-2-6-14-20(17,18)10-4-3-8(11)7-9(10)12/h3-4,7,13-14H,2,5-6,12H2,1H3
InChIKeyDIIKEXXFBDPEKK-UHFFFAOYSA-N
MW341.84 g/mol
LogP0.14
Rot. Bonds7

About 2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide

2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide (PubChem CID 106333180) has the molecular formula C10H16ClN3O4S2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
PubChem CID106333180
Molecular FormulaC10H16ClN3O4S2
Molecular Weight341.84 g/mol
Exact Mass341.03
IUPAC Name2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
SMILESCS(=O)(=O)NCCCNS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H16ClN3O4S2/c1-19(15,16)13-5-2-6-14-20(17,18)10-4-3-8(11)7-9(10)12/h3-4,7,13-14H,2,5-6,12H2,1H3
InChIKeyDIIKEXXFBDPEKK-UHFFFAOYSA-N
XLogP0.14
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345872
2-amino-4-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzenesulfonamide
CID 64517997
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
2-amino-4-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569599
2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333204
2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150822
2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115405321
2-amino-5-chloro-N-hexylbenzenesulfonamide
CID 61108372
5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333254
2-amino-4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106242744
2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333183
ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate
CID 60812241

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide (CID 106333180) is 2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide is CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The InChIKey is DIIKEXXFBDPEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O4S2/c1-19(15,16)13-5-2-6-14-20(17,18)10-4-3-8(11)7-9(10)12/h3-4,7,13-14H,2,5-6,12H2,1H3.
What are the key properties of 2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide has a molecular weight of 341.84 g/mol, XLogP of 0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide is sourced from PubChem (CID 106333180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).