4-chloro-3-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)-N-methyl-5-sulfamoylbenzamide

C18H25ClN4O4S — CID 86660780

IUPAC4-chloro-3-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)-N-methyl-5-sulfamoylbenzamide
SMILESCNC(=O)c1cc(S(N)(=O)=O)c(Cl)c(CCCN(C)C)c1NCc1ccco1
InChIInChI=1S/C18H25ClN4O4S/c1-21-18(24)14-10-15(28(20,25)26)16(19)13(7-4-8-23(2)3)17(14)22-11-12-6-5-9-27-12/h5-6,9-10,22H,4,7-8,11H2,1-3H3,(H,21,24)(H2,20,25,26)
InChIKeyOTAPNXWTGZYEOH-UHFFFAOYSA-N
MW428.94 g/mol
LogP2.05
Rot. Bonds9

About 4-chloro-3-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)-N-methyl-5-sulfamoylbenzamide

4-chloro-3-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)-N-methyl-5-sulfamoylbenzamide (PubChem CID 86660780) has the molecular formula C18H25ClN4O4S and a molecular weight of 428.94 g/mol. Its IUPAC name is 4-chloro-3-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)-N-methyl-5-sulfamoylbenzamide
PubChem CID86660780
Molecular FormulaC18H25ClN4O4S
Molecular Weight428.94 g/mol
Exact Mass428.13
IUPAC Name4-chloro-3-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)-N-methyl-5-sulfamoylbenzamide
SMILESCNC(=O)c1cc(S(N)(=O)=O)c(Cl)c(CCCN(C)C)c1NCc1ccco1
InChIInChI=1S/C18H25ClN4O4S/c1-21-18(24)14-10-15(28(20,25)26)16(19)13(7-4-8-23(2)3)17(14)22-11-12-6-5-9-27-12/h5-6,9-10,22H,4,7-8,11H2,1-3H3,(H,21,24)(H2,20,25,26)
InChIKeyOTAPNXWTGZYEOH-UHFFFAOYSA-N
XLogP2.05
TPSA117.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

S-[3-(dimethylamino)propyl] 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenecarbothioate
CID 46853545
4-chloro-2-(furan-2-ylmethylamino)-3-[2-[[(2S)-2-nitrooxypropyl]amino]-2-oxoethyl]-5-sulfamoylbenzoic acid
CID 87667306
2-methoxyethyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 118302031
(1-ethoxy-1-oxopropan-2-yl) 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 155796067
CID 68522905
CID 68522905
potassium;4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate;hydrochloride
CID 138402493
N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
CID 24539616
3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide
CID 54867068
4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl cyanide
CID 141273993
5-amino-4-chloro-2-(furan-2-ylmethylamino)-3-methyl-N-sulfonylbenzamide
CID 174640393
methanethioyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 87081207
5-amino-4-chloro-3-ethyl-2-(furan-2-ylmethylamino)-N-sulfonylbenzamide
CID 174640392

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of 4-chloro-3-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)-N-methyl-5-sulfamoylbenzamide (CID 86660780) is 4-chloro-3-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-3-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-3-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)-N-methyl-5-sulfamoylbenzamide is CNC(=O)c1cc(S(N)(=O)=O)c(Cl)c(CCCN(C)C)c1NCc1ccco1.
What is the InChIKey of 4-chloro-3-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)-N-methyl-5-sulfamoylbenzamide?
The InChIKey is OTAPNXWTGZYEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O4S/c1-21-18(24)14-10-15(28(20,25)26)16(19)13(7-4-8-23(2)3)17(14)22-11-12-6-5-9-27-12/h5-6,9-10,22H,4,7-8,11H2,1-3H3,(H,21,24)(H2,20,25,26).
What are the key properties of 4-chloro-3-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)-N-methyl-5-sulfamoylbenzamide?
4-chloro-3-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)-N-methyl-5-sulfamoylbenzamide has a molecular weight of 428.94 g/mol, XLogP of 2.05, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 86660780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).