2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide

C10H16ClN3O4S2 — CID 106333183

IUPAC2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
SMILESCS(=O)(=O)NCCCNS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C10H16ClN3O4S2/c1-19(15,16)13-6-3-7-14-20(17,18)10-8(11)4-2-5-9(10)12/h2,4-5,13-14H,3,6-7,12H2,1H3
InChIKeyJVUUIUXRZUSIHI-UHFFFAOYSA-N
MW341.84 g/mol
LogP0.14
Rot. Bonds7

About 2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide

2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide (PubChem CID 106333183) has the molecular formula C10H16ClN3O4S2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
PubChem CID106333183
Molecular FormulaC10H16ClN3O4S2
Molecular Weight341.84 g/mol
Exact Mass341.03
IUPAC Name2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
SMILESCS(=O)(=O)NCCCNS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C10H16ClN3O4S2/c1-19(15,16)13-6-3-7-14-20(17,18)10-8(11)4-2-5-9(10)12/h2,4-5,13-14H,3,6-7,12H2,1H3
InChIKeyJVUUIUXRZUSIHI-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-6-chloro-N-octylbenzenesulfonamide
CID 115565998
2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606022
2-amino-6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62038556
2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 79756335
2-amino-6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62977744
N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride
CID 120583800
3-amino-N-[3-(methanesulfonamido)propyl]-2,6-dimethylbenzenesulfonamide
CID 106333253
2-amino-6-chloro-N-(2,2-dimethylbutyl)benzenesulfonamide
CID 103460070
2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62842731
2-amino-6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 80681368
2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106103895
2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333180

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The IUPAC name of 2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide (CID 106333183) is 2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The canonical SMILES for 2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide is CS(=O)(=O)NCCCNS(=O)(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
The InChIKey is JVUUIUXRZUSIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O4S2/c1-19(15,16)13-6-3-7-14-20(17,18)10-8(11)4-2-5-9(10)12/h2,4-5,13-14H,3,6-7,12H2,1H3.
What are the key properties of 2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide?
2-amino-6-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-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide is sourced from PubChem (CID 106333183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).