3-chloro-4-(1-methoxypropan-2-ylamino)-N,N-dimethylbenzenesulfonamide

C12H19ClN2O3S — CID 86657661

IUPAC3-chloro-4-(1-methoxypropan-2-ylamino)-N,N-dimethylbenzenesulfonamide
SMILESCOCC(C)Nc1ccc(S(=O)(=O)N(C)C)cc1Cl
InChIInChI=1S/C12H19ClN2O3S/c1-9(8-18-4)14-12-6-5-10(7-11(12)13)19(16,17)15(2)3/h5-7,9,14H,8H2,1-4H3
InChIKeyVZDOJCMYAFZWDO-UHFFFAOYSA-N
MW306.82 g/mol
LogP2.04
Rot. Bonds6

About 3-chloro-4-(1-methoxypropan-2-ylamino)-N,N-dimethylbenzenesulfonamide

3-chloro-4-(1-methoxypropan-2-ylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 86657661) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.82 g/mol. Its IUPAC name is 3-chloro-4-(1-methoxypropan-2-ylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(1-methoxypropan-2-ylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID86657661
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.82 g/mol
Exact Mass306.08
IUPAC Name3-chloro-4-(1-methoxypropan-2-ylamino)-N,N-dimethylbenzenesulfonamide
SMILESCOCC(C)Nc1ccc(S(=O)(=O)N(C)C)cc1Cl
InChIInChI=1S/C12H19ClN2O3S/c1-9(8-18-4)14-12-6-5-10(7-11(12)13)19(16,17)15(2)3/h5-7,9,14H,8H2,1-4H3
InChIKeyVZDOJCMYAFZWDO-UHFFFAOYSA-N
XLogP2.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline
CID 43078501
2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
CID 43115381
(2S)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-3-methoxy-2-methylpropanamide
CID 100768326
2-chloro-N-(1-methoxypropan-2-yl)aniline
CID 62535626
2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline
CID 104726031
3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide
CID 62536999
3-chloro-4-(chloromethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 107091002
3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43162681
3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 5184702
5-(dimethylsulfamoyl)-2-(propan-2-ylamino)benzoic acid
CID 60702313
3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 697776
5-(dimethylsulfamoyl)-2-(3-methoxypropylamino)benzoic acid
CID 60658564

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(1-methoxypropan-2-ylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-(1-methoxypropan-2-ylamino)-N,N-dimethylbenzenesulfonamide (CID 86657661) is 3-chloro-4-(1-methoxypropan-2-ylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(1-methoxypropan-2-ylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-(1-methoxypropan-2-ylamino)-N,N-dimethylbenzenesulfonamide is COCC(C)Nc1ccc(S(=O)(=O)N(C)C)cc1Cl.
What is the InChIKey of 3-chloro-4-(1-methoxypropan-2-ylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is VZDOJCMYAFZWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-9(8-18-4)14-12-6-5-10(7-11(12)13)19(16,17)15(2)3/h5-7,9,14H,8H2,1-4H3.
What are the key properties of 3-chloro-4-(1-methoxypropan-2-ylamino)-N,N-dimethylbenzenesulfonamide?
3-chloro-4-(1-methoxypropan-2-ylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 306.82 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(1-methoxypropan-2-ylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 86657661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).