3-chloro-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide

C14H16ClN3O3S — CID 97428242

IUPAC3-chloro-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C14H16ClN3O3S/c1-10-13(15)3-2-4-14(10)22(19,20)17-11-7-16-18(8-11)12-5-6-21-9-12/h2-4,7-8,12,17H,5-6,9H2,1H3/t12-/m0/s1
InChIKeySEMIGGUNRXSKKM-LBPRGKRZSA-N
MW341.82 g/mol
LogP2.61
Rot. Bonds4

About 3-chloro-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide

3-chloro-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide (PubChem CID 97428242) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
PubChem CID97428242
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC Name3-chloro-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C14H16ClN3O3S/c1-10-13(15)3-2-4-14(10)22(19,20)17-11-7-16-18(8-11)12-5-6-21-9-12/h2-4,7-8,12,17H,5-6,9H2,1H3/t12-/m0/s1
InChIKeySEMIGGUNRXSKKM-LBPRGKRZSA-N
XLogP2.61
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide (CID 97428242) is 3-chloro-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1cnn([C@H]2CCOC2)c1.
What is the InChIKey of 3-chloro-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide?
The InChIKey is SEMIGGUNRXSKKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c1-10-13(15)3-2-4-14(10)22(19,20)17-11-7-16-18(8-11)12-5-6-21-9-12/h2-4,7-8,12,17H,5-6,9H2,1H3/t12-/m0/s1.
What are the key properties of 3-chloro-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide?
3-chloro-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide has a molecular weight of 341.82 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 97428242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).