1-chloro-2-[1-(dimethylamino)-2-(dipropylsulfamoylamino)ethyl]benzene

C16H28ClN3O2S — CID 55627118

IUPAC1-chloro-2-[1-(dimethylamino)-2-(dipropylsulfamoylamino)ethyl]benzene
SMILESCCCN(CCC)S(=O)(=O)NCC(c1ccccc1Cl)N(C)C
InChIInChI=1S/C16H28ClN3O2S/c1-5-11-20(12-6-2)23(21,22)18-13-16(19(3)4)14-9-7-8-10-15(14)17/h7-10,16,18H,5-6,11-13H2,1-4H3
InChIKeyXHMFEBMGXRSLHX-UHFFFAOYSA-N
MW361.94 g/mol
LogP2.90
Rot. Bonds10

About 1-chloro-2-[1-(dimethylamino)-2-(dipropylsulfamoylamino)ethyl]benzene

1-chloro-2-[1-(dimethylamino)-2-(dipropylsulfamoylamino)ethyl]benzene (PubChem CID 55627118) has the molecular formula C16H28ClN3O2S and a molecular weight of 361.94 g/mol. Its IUPAC name is 1-chloro-2-[1-(dimethylamino)-2-(dipropylsulfamoylamino)ethyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[1-(dimethylamino)-2-(dipropylsulfamoylamino)ethyl]benzene
PubChem CID55627118
Molecular FormulaC16H28ClN3O2S
Molecular Weight361.94 g/mol
Exact Mass361.16
IUPAC Name1-chloro-2-[1-(dimethylamino)-2-(dipropylsulfamoylamino)ethyl]benzene
SMILESCCCN(CCC)S(=O)(=O)NCC(c1ccccc1Cl)N(C)C
InChIInChI=1S/C16H28ClN3O2S/c1-5-11-20(12-6-2)23(21,22)18-13-16(19(3)4)14-9-7-8-10-15(14)17/h7-10,16,18H,5-6,11-13H2,1-4H3
InChIKeyXHMFEBMGXRSLHX-UHFFFAOYSA-N
XLogP2.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.94
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
CID 55598328
N-[4-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
CID 51710904
N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
CID 51710902
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide
CID 60568297
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylpyridine-3-sulfonamide
CID 124890385
3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
CID 51895775
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 51499769
N'-[2,4-bis(methylsulfonyl)phenyl]-1-(2-chlorophenyl)-N,N-dimethylethane-1,2-diamine
CID 42927019
3-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl-methylamino]propanoic acid
CID 81377508
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-cyclopentylsulfonylpropanamide
CID 71895035
3-(2-chlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83924215
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]thiophene-2-sulfonamide
CID 26192906

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[1-(dimethylamino)-2-(dipropylsulfamoylamino)ethyl]benzene?
The IUPAC name of 1-chloro-2-[1-(dimethylamino)-2-(dipropylsulfamoylamino)ethyl]benzene (CID 55627118) is 1-chloro-2-[1-(dimethylamino)-2-(dipropylsulfamoylamino)ethyl]benzene.
What is the SMILES notation for 1-chloro-2-[1-(dimethylamino)-2-(dipropylsulfamoylamino)ethyl]benzene?
The canonical SMILES for 1-chloro-2-[1-(dimethylamino)-2-(dipropylsulfamoylamino)ethyl]benzene is CCCN(CCC)S(=O)(=O)NCC(c1ccccc1Cl)N(C)C.
What is the InChIKey of 1-chloro-2-[1-(dimethylamino)-2-(dipropylsulfamoylamino)ethyl]benzene?
The InChIKey is XHMFEBMGXRSLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3O2S/c1-5-11-20(12-6-2)23(21,22)18-13-16(19(3)4)14-9-7-8-10-15(14)17/h7-10,16,18H,5-6,11-13H2,1-4H3.
What are the key properties of 1-chloro-2-[1-(dimethylamino)-2-(dipropylsulfamoylamino)ethyl]benzene?
1-chloro-2-[1-(dimethylamino)-2-(dipropylsulfamoylamino)ethyl]benzene has a molecular weight of 361.94 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[1-(dimethylamino)-2-(dipropylsulfamoylamino)ethyl]benzene is sourced from PubChem (CID 55627118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).