3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide

C14H24ClN3O2S — CID 61138875

IUPAC3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C14H24ClN3O2S/c1-11(2)10-18(8-7-17(3)4)21(19,20)12-5-6-13(15)14(16)9-12/h5-6,9,11H,7-8,10,16H2,1-4H3
InChIKeyNIRUZSYFPWNDFX-UHFFFAOYSA-N
MW333.89 g/mol
LogP2.13
Rot. Bonds7

About 3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide

3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 61138875) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
PubChem CID61138875
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC Name3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C14H24ClN3O2S/c1-11(2)10-18(8-7-17(3)4)21(19,20)12-5-6-13(15)14(16)9-12/h5-6,9,11H,7-8,10,16H2,1-4H3
InChIKeyNIRUZSYFPWNDFX-UHFFFAOYSA-N
XLogP2.13
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-4-chloro-N-(2-cyanoethyl)benzenesulfonamide
CID 97449
4-chloro-N-(2-(dimethylamino)ethyl)-3-nitrobenzene-1-sulfonamide
CID 3703122
3-Amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide
CID 3774261
3-Amino-4-chlorobenzenesulphonamide
CID 95794
4-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 4787223
N,N-dibutyl-4-chloro-3-nitrobenzenesulfonamide
CID 5323285
5-amino-2-chloro-N,N-dimethylbenzene-1-sulfonamide
CID 3613938
5-amino-2-chloro-N,N-diethylbenzene-1-sulfonamide
CID 3779308
N-{2-chloro-5-[(diethylamino)sulfonyl]phenyl}acetamide
CID 2963513
4-chloro-3-nitro-N,N-dipropylbenzene-1-sulfonamide
CID 2899735
4-Chloro-3-nitro-N,N-dipentyl-benzenesulfonamide
CID 44297227
2-Chloro-5-(pyrrolidine-1-sulfonyl)aniline
CID 2963514

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide (CID 61138875) is 3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(CCN(C)C)S(=O)(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is NIRUZSYFPWNDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2S/c1-11(2)10-18(8-7-17(3)4)21(19,20)12-5-6-13(15)14(16)9-12/h5-6,9,11H,7-8,10,16H2,1-4H3.
What are the key properties of 3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide?
3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 333.89 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 61138875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).