N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide

C24H29ClN4O3S — CID 174603455

IUPACN-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESCCCCN(c1ccc(Cl)cc1-n1cc(CN2CCOCC2)cn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H29ClN4O3S/c1-2-3-11-29(33(30,31)22-7-5-4-6-8-22)23-10-9-21(25)16-24(23)28-19-20(17-26-28)18-27-12-14-32-15-13-27/h4-10,16-17,19H,2-3,11-15,18H2,1H3
InChIKeyFQNUBWVUVADQKO-UHFFFAOYSA-N
MW489.04 g/mol
LogP4.35
Rot. Bonds9

About N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide

N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide (PubChem CID 174603455) has the molecular formula C24H29ClN4O3S and a molecular weight of 489.04 g/mol. Its IUPAC name is N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
PubChem CID174603455
Molecular FormulaC24H29ClN4O3S
Molecular Weight489.04 g/mol
Exact Mass488.16
IUPAC NameN-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESCCCCN(c1ccc(Cl)cc1-n1cc(CN2CCOCC2)cn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H29ClN4O3S/c1-2-3-11-29(33(30,31)22-7-5-4-6-8-22)23-10-9-21(25)16-24(23)28-19-20(17-26-28)18-27-12-14-32-15-13-27/h4-10,16-17,19H,2-3,11-15,18H2,1H3
InChIKeyFQNUBWVUVADQKO-UHFFFAOYSA-N
XLogP4.35
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.04
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide (CID 174603455) is N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide is CCCCN(c1ccc(Cl)cc1-n1cc(CN2CCOCC2)cn1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The InChIKey is FQNUBWVUVADQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3S/c1-2-3-11-29(33(30,31)22-7-5-4-6-8-22)23-10-9-21(25)16-24(23)28-19-20(17-26-28)18-27-12-14-32-15-13-27/h4-10,16-17,19H,2-3,11-15,18H2,1H3.
What are the key properties of N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide has a molecular weight of 489.04 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 174603455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).