2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide

C13H18Cl2N2O2S — CID 43587535

IUPAC2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O2S/c1-2-5-17(8-9-3-4-9)20(18,19)13-11(15)6-10(14)7-12(13)16/h6-7,9H,2-5,8,16H2,1H3
InChIKeyROFAUTCKHXQTFZ-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.39
Rot. Bonds6

About 2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide

2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide (PubChem CID 43587535) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
PubChem CID43587535
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC Name2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O2S/c1-2-5-17(8-9-3-4-9)20(18,19)13-11(15)6-10(14)7-12(13)16/h6-7,9H,2-5,8,16H2,1H3
InChIKeyROFAUTCKHXQTFZ-UHFFFAOYSA-N
XLogP3.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-6-chloro-N~1~,N~1~,N~3~,N~3~-tetramethyl-1,3-benzenedisulfonamide
CID 868627
2-Amino-4,6-dichlorobenzene-1-sulfonamide
CID 3021430
2-amino-4,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43256483
2-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 55006698
2-amino-4,6-dichloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 55173779
2-amino-4,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60891162
4-amino-2,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60891724
2-amino-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892302
2-amino-4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61105114
2-amino-4,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61105300
2-amino-N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61105485
4-amino-2,6-dichloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61105680

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide (CID 43587535) is 2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide is CCCN(CC1CC1)S(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide?
The InChIKey is ROFAUTCKHXQTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c1-2-5-17(8-9-3-4-9)20(18,19)13-11(15)6-10(14)7-12(13)16/h6-7,9H,2-5,8,16H2,1H3.
What are the key properties of 2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide?
2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide has a molecular weight of 337.27 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 43587535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).